Information card for entry 4028216

Structure parameters

• Formula: C18 H24 O2
• Calculated formula: C18 H24 O2
• SMILES: O=C1[C@@]([C@@H]2CC[C@@H](O)[C@@]2(CC1)C)(C)Cc1ccccc1.O=C1[C@]([C@H]2CC[C@H](O)[C@]2(CC1)C)(C)Cc1ccccc1
• Title of publication: Diastereoselective Synthesis of Complex cis-Hexahydroindanes by Reductive Alkylation
• Authors of publication: Hilan Z. Kaplan; Victor L. Rendina; Jason S. Kingsbury
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4620 - 4626
• a: 8.1744 ± 0.0014 Å
• b: 8.2642 ± 0.0014 Å
• c: 11.2317 ± 0.0019 Å
• α: 87.925 ± 0.002°
• β: 77.109 ± 0.002°
• γ: 80.284 ± 0.002°
• Cell volume: 729 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No